6-(3-acetylphenoxy)-N,N-diethylpyridine-3-sulfonamide

C17H20N2O4S — CID 2545885

IUPAC6-(3-acetylphenoxy)-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C(C)=O)c2)nc1
InChIInChI=1S/C17H20N2O4S/c1-4-19(5-2)24(21,22)16-9-10-17(18-12-16)23-15-8-6-7-14(11-15)13(3)20/h6-12H,4-5H2,1-3H3
InChIKeyHUQUNINRRCUIPA-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.11
Rot. Bonds7

About 6-(3-acetylphenoxy)-N,N-diethylpyridine-3-sulfonamide

6-(3-acetylphenoxy)-N,N-diethylpyridine-3-sulfonamide (PubChem CID 2545885) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 6-(3-acetylphenoxy)-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-acetylphenoxy)-N,N-diethylpyridine-3-sulfonamide
PubChem CID2545885
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name6-(3-acetylphenoxy)-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C(C)=O)c2)nc1
InChIInChI=1S/C17H20N2O4S/c1-4-19(5-2)24(21,22)16-9-10-17(18-12-16)23-15-8-6-7-14(11-15)13(3)20/h6-12H,4-5H2,1-3H3
InChIKeyHUQUNINRRCUIPA-UHFFFAOYSA-N
XLogP3.11
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2112842
6-(4-acetyl-2-methoxyphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2553651
(E)-1-(3-methoxyphenyl)-3-(3-pyridyl)prop-2-en-1-one
CID 19560590
(4-Methoxy-2-methylphenyl)[1-(3-pyridinylsulfonyl)-3-piperidinyl]methanone
CID 16187898
US11020381, Example 27
CID 137525419
US11020381, Example 134
CID 137525513
US11020381, Example 53
CID 137525536
US11020381, Example 173
CID 137525621
US11020381, Example 172
CID 137525703
US11020381, Example 52
CID 137525723
US11020381, Example 131
CID 137525821
US11020381, Example 44
CID 137525836

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylphenoxy)-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-(3-acetylphenoxy)-N,N-diethylpyridine-3-sulfonamide (CID 2545885) is 6-(3-acetylphenoxy)-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-acetylphenoxy)-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(3-acetylphenoxy)-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C(C)=O)c2)nc1.
What is the InChIKey of 6-(3-acetylphenoxy)-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is HUQUNINRRCUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-19(5-2)24(21,22)16-9-10-17(18-12-16)23-15-8-6-7-14(11-15)13(3)20/h6-12H,4-5H2,1-3H3.
What are the key properties of 6-(3-acetylphenoxy)-N,N-diethylpyridine-3-sulfonamide?
6-(3-acetylphenoxy)-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 348.42 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylphenoxy)-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 2545885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).